2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)

C162H193Ir4N13O8-4 — CID 159795427

About 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)

2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) (PubChem CID 159795427) has the molecular formula C162H193Ir4N13O8-4 and a molecular weight of 3219.28 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol).

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
• PubChem CID: 159795427
• Molecular Formula: C162H193Ir4N13O8-4
• Molecular Weight: 3219.28 g/mol
• Exact Mass: 3220.36
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)
• SMILES: CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.Cc1[c-]c(-c2ncc(-c3cccc(C#N)c3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.[C-]#[N+]c1ccc(-c2ccccc2)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)n2)c1.[C-]#[N+]c1ccc(C#N)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)n2)c1.[C-]#[N+]c1ccc(CC)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)n2)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C33H26N3.C29H26N3.C28H21N4.C28H24N3.4C11H24O2.4Ir/c1-21-13-22(2)16-26(15-21)32-33(27-17-23(3)14-24(4)18-27)36-31(20-35-32)30-19-28(34-5)11-12-29(30)25-9-7-6-8-10-25;1-7-22-8-9-25(30-6)16-26(22)27-17-31-28(23-12-18(2)10-19(3)13-23)29(32-27)24-14-20(4)11-21(5)15-24;1-17-8-18(2)11-22(10-17)27-28(23-12-19(3)9-20(4)13-23)32-26(16-31-27)25-14-24(30-5)7-6-21(25)15-29;1-17-9-18(2)12-23(11-17)27-28(24-13-19(3)10-20(4)14-24)31-26(16-30-27)25-8-6-7-22(15-29)21(25)5;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h6-15,17-20H,1-4H3;8-12,14-17H,7H2,1-5H3;6-10,12-14,16H,1-4H3;6-11,13-14,16H,1-5H3;4*8-9,12-13H,7H2,1-6H3;;;;/q4*-1
• InChIKey: VYQXEUKIJPSMBW-UHFFFAOYSA-N
• XLogP: 38.73
• TPSA: 325.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3219.28
LogP ≤ 5	38.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) (CID 159795427) is 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol).

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) is CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.CC(C)(C)C(O)CC(O)C(C)(C)C.Cc1[c-]c(-c2ncc(-c3cccc(C#N)c3C)nc2-c2cc(C)cc(C)c2)cc(C)c1.[C-]#[N+]c1ccc(-c2ccccc2)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)n2)c1.[C-]#[N+]c1ccc(C#N)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)n2)c1.[C-]#[N+]c1ccc(CC)c(-c2cnc(-c3[c-]c(C)cc(C)c3)c(-c3cc(C)cc(C)c3)n2)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?

The InChIKey is VYQXEUKIJPSMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N3.C29H26N3.C28H21N4.C28H24N3.4C11H24O2.4Ir/c1-21-13-22(2)16-26(15-21)32-33(27-17-23(3)14-24(4)18-27)36-31(20-35-32)30-19-28(34-5)11-12-29(30)25-9-7-6-8-10-25;1-7-22-8-9-25(30-6)16-26(22)27-17-31-28(23-12-18(2)10-19(3)13-23)29(32-27)24-14-20(4)11-21(5)15-24;1-17-8-18(2)11-22(10-17)27-28(23-12-19(3)9-20(4)13-23)32-26(16-31-27)25-14-24(30-5)7-6-21(25)15-29;1-17-9-18(2)12-23(11-17)27-28(24-13-19(3)10-20(4)14-24)31-26(16-30-27)25-8-6-7-22(15-29)21(25)5;4*1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h6-15,17-20H,1-4H3;8-12,14-17H,7H2,1-5H3;6-10,12-14,16H,1-4H3;6-11,13-14,16H,1-5H3;4*8-9,12-13H,7H2,1-6H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol)?

2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) has a molecular weight of 3219.28 g/mol, XLogP of 38.73, 22 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(2-ethyl-5-isocyanophenyl)pyrazine;2-(3,5-dimethylbenzene-6-id-1-yl)-3-(3,5-dimethylphenyl)-5-(5-isocyano-2-phenylphenyl)pyrazine;2-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-4-isocyanobenzonitrile;3-[5-(3,5-dimethylbenzene-6-id-1-yl)-6-(3,5-dimethylphenyl)pyrazin-2-yl]-2-methylbenzonitrile;tetrakis(iridium);tetrakis(2,2,6,6-tetramethylheptane-3,5-diol) is sourced from PubChem (CID 159795427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).